N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methyl-1,3-thiazole-2-sulfonamide

C17H20N4O3S3 — CID 70883590

IUPACN-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methyl-1,3-thiazole-2-sulfonamide
SMILESCN(c1cccc2c1NC(C1=NCC(CCO)S1)C2)S(=O)(=O)c1nccs1
InChIInChI=1S/C17H20N4O3S3/c1-21(27(23,24)17-18-6-8-25-17)14-4-2-3-11-9-13(20-15(11)14)16-19-10-12(26-16)5-7-22/h2-4,6,8,12-13,20,22H,5,7,9-10H2,1H3
InChIKeyATMVPRZOCKRTEH-UHFFFAOYSA-N
MW424.57 g/mol
LogP2.20
Rot. Bonds6

About N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methyl-1,3-thiazole-2-sulfonamide

N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methyl-1,3-thiazole-2-sulfonamide (PubChem CID 70883590) has the molecular formula C17H20N4O3S3 and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methyl-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methyl-1,3-thiazole-2-sulfonamide
PubChem CID70883590
Molecular FormulaC17H20N4O3S3
Molecular Weight424.57 g/mol
Exact Mass424.07
IUPAC NameN-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methyl-1,3-thiazole-2-sulfonamide
SMILESCN(c1cccc2c1NC(C1=NCC(CCO)S1)C2)S(=O)(=O)c1nccs1
InChIInChI=1S/C17H20N4O3S3/c1-21(27(23,24)17-18-6-8-25-17)14-4-2-3-11-9-13(20-15(11)14)16-19-10-12(26-16)5-7-22/h2-4,6,8,12-13,20,22H,5,7,9-10H2,1H3
InChIKeyATMVPRZOCKRTEH-UHFFFAOYSA-N
XLogP2.20
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methyl-1,3-thiazole-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methyl-1,3-thiazole-2-sulfonamide?
The IUPAC name of N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methyl-1,3-thiazole-2-sulfonamide (CID 70883590) is N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methyl-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methyl-1,3-thiazole-2-sulfonamide?
The canonical SMILES for N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methyl-1,3-thiazole-2-sulfonamide is CN(c1cccc2c1NC(C1=NCC(CCO)S1)C2)S(=O)(=O)c1nccs1.
What is the InChIKey of N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methyl-1,3-thiazole-2-sulfonamide?
The InChIKey is ATMVPRZOCKRTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S3/c1-21(27(23,24)17-18-6-8-25-17)14-4-2-3-11-9-13(20-15(11)14)16-19-10-12(26-16)5-7-22/h2-4,6,8,12-13,20,22H,5,7,9-10H2,1H3.
What are the key properties of N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methyl-1,3-thiazole-2-sulfonamide?
N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methyl-1,3-thiazole-2-sulfonamide has a molecular weight of 424.57 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methyl-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 70883590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).